⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8360326 | 0.86 | — | — | |
| SCHEMBL2909540 | 0.79 | — | — | |
| SCHEMBL29093301 | 0.75 | — | — | |
| SCHEMBL28525622 | 0.75 | — | — | |
| SCHEMBL10728686 | 0.75 | — | — | |
| SCHEMBL409599 | 0.72 | — | — | |
| SCHEMBL14522694 | 0.72 | TSHR (0.46) | — | |
| SCHEMBL11868195 | 0.69 | ALDH1A1 (0.35) | — | |
| SCHEMBL7720269 | 0.69 | MEN1 (0.32) | — | |
| SCHEMBL1727003 | 0.69 | TSHR (0.43) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1190027-A1 | LIQUID LAUNDRY DETERGENT COMPOSITION CONTAINING ETHOXYLATED QUATERNARY SURFACTANT | Colgate-Palmolive Company (US) | 2002-03-27 | — | — | EP | claimed |
| WO-2000077137-A1 | LIQUID LAUNDRY DETERGENT COMPOSITION CONTAINING ETHOXYLATED QUATERNARY SURFACTANT | COLGATE-PALMOLIVE COMPANY (US) | 2000-12-21 | — | — | WO | claimed |
| US-5994285-A | ANIONIC AND CATIONIC SURFACTANT MIXTURE | COLGATE-PALMOLIVE CO. (US) | 1999-11-30 | — | — | US | claimed |
| CN-106957283-A | A kind of mono-acid method alcoholizing propenyl chloride Synthesis of Propylene Oxide | 吴剑华 | 2017-07-18 | — | — | CN | disclosed |
| CN-104024225-A | Pesticidal compounds | SYNGENTA PARTICIPATIONS AG | 2014-09-03 | — | — | CN | disclosed |
| WO-2011154827-A2 | TRANSITION METAL-CATALYZED PROCESSES FOR THE PREPARATION OF N-ALLYL COMPOUNDS AND USE THEREOF | RHODES TECHNOLOGIES (US) | 2011-12-15 | — | — | WO | disclosed |
| EP-1190027-A1 | LIQUID LAUNDRY DETERGENT COMPOSITION CONTAINING ETHOXYLATED QUATERNARY SURFACTANT | Colgate-Palmolive Company (US) | 2002-03-27 | — | — | EP | disclosed |
| WO-2000077137-A1 | LIQUID LAUNDRY DETERGENT COMPOSITION CONTAINING ETHOXYLATED QUATERNARY SURFACTANT | COLGATE-PALMOLIVE COMPANY (US) | 2000-12-21 | — | — | WO | disclosed |
| US-5994285-A | ANIONIC AND CATIONIC SURFACTANT MIXTURE | COLGATE-PALMOLIVE CO. (US) | 1999-11-30 | — | — | US | disclosed |
| US-4066673-A | PROCESS FOR MAKING QUATERNARY AMINES OF EPICHLOROHYDRIN | WESTVACO CORPORATION (US) | 1978-01-03 | — | — | US | disclosed |